==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 09-MAY-04 1T7D . COMPND 2 MOLECULE: SIGNAL PEPTIDASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.PAETZEL,J.J.GOODALL,M.KANIA,R.E.DALBEY,M.G.P.PAGE . 443 10 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 49 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 5 9 1 7 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 80 A I 0 0 157 0, 0.0 25,-1.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 117.8 5.2 63.5 9.7 2 81 A Y E -A 25 0A 141 23,-0.2 23,-0.2 21,-0.0 21,-0.0 -0.619 360.0-166.1 -98.3 160.0 2.9 60.9 11.2 3 82 A E E -A 24 0A 36 21,-1.6 21,-1.8 -2,-0.2 2,-0.1 -0.931 15.1-138.4-147.5 119.0 1.3 57.9 9.6 4 83 A P E -A 23 0A 34 0, 0.0 437,-0.9 0, 0.0 2,-0.3 -0.434 19.7-176.2 -79.3 151.9 -1.6 55.9 11.1 5 84 A F E -A 22 0A 2 17,-1.7 17,-2.1 435,-0.1 2,-0.4 -0.988 22.2-126.4-145.8 148.9 -1.8 52.0 11.1 6 85 A Q E -Ab 21 443A 76 436,-2.1 438,-1.3 -2,-0.3 15,-0.2 -0.806 16.3-140.3 -98.9 137.9 -4.4 49.6 12.3 7 86 A I + 0 0 3 13,-2.1 12,-2.4 -2,-0.4 13,-0.4 -0.796 29.7 165.0-100.8 95.6 -3.4 46.8 14.7 8 87 A P + 0 0 40 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.803 56.1 53.3 -80.6 -29.5 -5.2 43.6 13.6 9 88 A S S S- 0 0 39 435,-0.5 3,-0.4 8,-0.1 10,-0.1 -0.547 75.5-124.6-106.9 172.1 -3.3 41.0 15.6 10 89 A G S > S+ 0 0 6 1,-0.2 3,-1.5 -2,-0.2 164,-0.1 0.154 71.9 115.8 -97.7 20.8 -2.3 40.3 19.1 11 90 A S T 3 S+ 0 0 7 1,-0.3 160,-2.3 434,-0.2 -1,-0.2 0.700 81.3 42.2 -63.6 -20.3 1.5 40.0 18.5 12 91 A M T >> S+ 0 0 1 -3,-0.4 4,-1.6 158,-0.2 3,-1.0 0.254 94.8 174.2-111.2 13.8 2.3 43.1 20.6 13 92 A M T <4 + 0 0 4 -3,-1.5 122,-0.5 1,-0.3 159,-0.1 -0.299 56.4 18.0 -61.0 146.9 -0.1 42.5 23.5 14 93 A P T 34 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.990 127.9 50.8 -89.9 0.2 -0.5 43.8 26.1 15 94 A T T <4 S+ 0 0 8 -3,-1.0 2,-0.4 1,-0.2 -2,-0.2 0.940 125.3 21.4 -57.8 -53.6 1.2 47.0 24.8 16 95 A L S < S- 0 0 0 -4,-1.6 2,-0.3 -6,-0.1 -4,-0.2 -0.956 80.8-157.6-117.7 136.4 -0.9 47.1 21.6 17 96 A L > - 0 0 11 -2,-0.4 3,-2.7 -4,-0.1 -10,-0.2 -0.849 33.3 -88.0-116.2 154.5 -4.2 45.4 21.4 18 97 A I T 3 S+ 0 0 82 -2,-0.3 3,-0.1 1,-0.3 -8,-0.1 -0.390 119.3 32.0 -57.2 125.1 -6.3 44.2 18.5 19 98 A G T 3 S+ 0 0 13 -12,-2.4 181,-1.9 1,-0.4 -1,-0.3 0.156 86.7 130.1 110.1 -18.7 -8.4 47.2 17.5 20 99 A D E < - C 0 199A 0 -3,-2.7 -13,-2.1 -13,-0.4 2,-0.5 -0.261 47.8-148.4 -63.6 156.6 -5.9 49.8 18.5 21 100 A F E -AC 6 198A 23 177,-2.5 176,-2.5 -15,-0.2 177,-1.5 -0.965 23.1-165.6-129.7 109.8 -5.1 52.5 15.9 22 101 A I E -AC 5 196A 0 -17,-2.1 -17,-1.7 -2,-0.5 2,-0.4 -0.460 16.1-136.1 -97.3 172.0 -1.5 53.7 16.3 23 102 A L E -AC 4 195A 42 172,-2.2 171,-2.2 -19,-0.2 172,-1.1 -0.987 16.5-156.5-126.9 132.1 0.5 56.6 15.0 24 103 A V E -AC 3 193A 0 -21,-1.8 -21,-1.6 -2,-0.4 2,-0.7 -0.866 11.3-142.5-112.5 145.7 4.0 56.3 13.6 25 104 A E E -AC 2 192A 68 167,-2.6 167,-1.7 -2,-0.4 -23,-0.2 -0.931 30.3-129.5-105.7 108.5 6.7 58.9 13.5 26 105 A K E C 0 191A 101 -25,-1.9 165,-0.3 -2,-0.7 164,-0.1 -0.276 360.0 360.0 -62.0 141.6 8.5 58.4 10.2 27 106 A F 0 0 107 163,-1.4 -1,-0.1 162,-0.2 164,-0.0 -0.400 360.0 360.0 -76.9 360.0 12.3 58.2 10.4 28 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 29 124 A H 0 0 164 0, 0.0 157,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.9 17.4 55.7 13.9 30 125 A P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 6,-0.0 -0.213 360.0-149.1 -58.5 142.7 15.9 52.9 16.0 31 126 A K > - 0 0 120 24,-0.0 3,-2.6 1,-0.0 21,-0.2 -0.949 37.4 -92.1-113.9 132.8 16.7 52.9 19.7 32 127 A R T 3 S+ 0 0 50 -2,-0.4 21,-0.2 1,-0.3 95,-0.1 -0.198 116.7 27.2 -46.8 122.9 16.8 49.4 21.4 33 128 A G T 3 S+ 0 0 2 19,-3.4 -1,-0.3 1,-0.3 20,-0.1 0.284 87.3 139.0 105.1 -9.6 13.3 48.8 22.7 34 129 A D < - 0 0 19 -3,-2.6 18,-3.1 18,-0.4 2,-0.6 -0.431 56.6-125.5 -71.4 140.9 11.4 51.0 20.2 35 130 A I E -D 51 0A 3 158,-0.4 158,-2.2 16,-0.2 2,-0.4 -0.769 40.6-168.6 -82.8 124.9 8.2 49.7 18.7 36 131 A V E -DE 50 192A 0 14,-3.7 14,-2.2 -2,-0.6 2,-0.5 -0.950 23.8-147.9-126.6 140.4 8.8 49.9 15.0 37 132 A V E +DE 49 191A 0 154,-2.9 153,-2.4 -2,-0.4 154,-1.5 -0.892 34.1 166.7-101.8 128.5 6.7 49.6 11.9 38 133 A F E -DE 48 189A 0 10,-3.1 10,-3.3 -2,-0.5 2,-0.5 -0.945 44.0 -95.9-142.6 162.7 8.5 48.1 8.9 39 134 A K E -D 47 0A 68 149,-2.4 8,-0.2 -2,-0.3 6,-0.1 -0.672 49.8-116.2 -76.3 123.8 8.2 46.5 5.5 40 135 A Y > - 0 0 29 6,-2.9 3,-0.6 -2,-0.5 6,-0.3 -0.494 19.0-144.7 -64.8 113.9 8.2 42.8 6.0 41 136 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 143,-0.0 0.866 97.0 53.4 -46.0 -48.3 11.3 41.5 4.2 42 137 A E T 3 S+ 0 0 139 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.879 133.9 7.5 -56.0 -45.3 9.6 38.2 3.0 43 138 A D X - 0 0 43 -3,-0.6 3,-2.3 3,-0.1 -3,-0.4 -0.767 69.4-170.4-143.2 89.6 6.7 40.2 1.4 44 139 A P T 3 S+ 0 0 75 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.438 79.0 80.1 -64.2 0.5 7.4 44.0 1.5 45 140 A K T 3 S+ 0 0 165 -5,-0.1 2,-0.4 -6,-0.1 -3,-0.0 0.639 89.0 73.6 -78.7 -13.5 3.9 44.6 0.3 46 141 A L S < S- 0 0 46 -3,-2.3 -6,-2.9 -6,-0.3 2,-0.5 -0.820 74.6-142.0-108.5 141.8 3.1 44.1 4.0 47 142 A D E -D 39 0A 29 -2,-0.4 398,-2.8 396,-0.4 2,-0.3 -0.851 18.0-165.7 -99.0 131.8 3.7 46.3 7.0 48 143 A Y E -D 38 0A 26 -10,-3.3 -10,-3.1 -2,-0.5 2,-0.5 -0.880 9.6-153.1-117.0 149.2 4.8 44.7 10.3 49 144 A I E +D 37 0A 1 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.992 35.1 138.4-124.5 117.7 4.8 46.2 13.8 50 145 A K E -D 36 0A 3 -14,-2.2 -14,-3.7 -2,-0.5 2,-0.4 -0.937 52.2 -92.7-149.8 171.9 7.3 44.7 16.3 51 146 A R E -DF 35 168A 0 117,-2.2 117,-2.1 -2,-0.3 2,-1.1 -0.763 34.0-124.7 -96.5 136.3 9.8 45.8 19.0 52 147 A A E + F 0 167A 0 -18,-3.1 -19,-3.4 -2,-0.4 -18,-0.4 -0.685 42.1 159.3 -82.7 101.4 13.5 46.4 18.0 53 148 A V E + 0 0 0 113,-1.9 2,-0.5 -2,-1.1 -1,-0.2 0.808 59.7 48.2 -91.5 -35.4 15.4 44.1 20.3 54 149 A G E - F 0 166A 0 112,-1.9 112,-2.0 4,-0.1 -1,-0.2 -0.930 63.6-165.7-118.2 124.9 18.7 43.9 18.4 55 150 A L > - 0 0 32 -2,-0.5 3,-2.3 110,-0.2 105,-0.2 -0.485 49.4 -66.4 -93.9 168.3 20.7 46.7 16.9 56 151 A P T 3 S+ 0 0 50 0, 0.0 18,-0.3 0, 0.0 -1,-0.2 -0.298 125.9 22.1 -55.1 137.5 23.5 46.3 14.4 57 152 A G T 3 S+ 0 0 22 103,-2.3 18,-2.4 1,-0.3 2,-0.1 0.200 91.7 136.3 90.3 -17.6 26.4 44.5 16.0 58 153 A D < - 0 0 2 -3,-2.3 102,-2.6 16,-0.2 2,-0.7 -0.391 47.6-148.1 -68.7 140.3 24.3 43.0 18.7 59 154 A K E -HI 72 159B 41 13,-1.7 13,-3.1 100,-0.2 2,-0.4 -0.953 26.0-172.9-107.4 110.1 24.8 39.3 19.6 60 155 A V E -HI 71 158B 0 98,-3.2 98,-3.7 -2,-0.7 2,-0.3 -0.897 12.0-178.3-113.6 141.6 21.3 38.1 20.7 61 156 A T E -HI 70 157B 31 9,-2.0 9,-1.8 -2,-0.4 2,-0.4 -0.987 9.1-158.2-135.1 142.5 20.4 34.8 22.2 62 157 A Y E -H 69 0B 2 94,-2.8 7,-0.2 -2,-0.3 3,-0.1 -0.990 9.3-146.5-127.4 129.8 16.9 33.5 23.2 63 158 A D E >> -H 68 0B 76 5,-2.0 4,-1.7 -2,-0.4 5,-0.5 -0.849 5.1-157.6 -95.7 113.5 16.2 30.8 25.7 64 159 A P T 45S+ 0 0 21 0, 0.0 78,-0.4 0, 0.0 -1,-0.1 0.746 89.3 45.8 -60.7 -25.5 13.1 28.8 24.6 65 160 A V T 45S+ 0 0 107 76,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.955 123.8 26.2 -84.3 -59.8 12.5 27.6 28.2 66 161 A S T 45S- 0 0 48 2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.738 98.8-139.7 -75.3 -21.5 12.9 30.6 30.5 67 162 A K T <5 + 0 0 18 -4,-1.7 2,-0.3 1,-0.2 105,-0.1 0.964 51.1 140.1 60.3 55.1 11.9 32.7 27.5 68 163 A E E < -H 63 0B 66 -5,-0.5 -5,-2.0 15,-0.0 2,-0.3 -0.935 46.6-124.5-130.5 152.3 14.5 35.4 28.2 69 164 A L E -H 62 0B 5 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.676 12.7-165.7 -99.3 150.9 16.8 37.5 26.0 70 165 A T E -H 61 0B 70 -9,-1.8 -9,-2.0 -2,-0.3 2,-0.5 -0.997 11.2-170.6-133.6 123.2 20.6 38.0 26.2 71 166 A I E -HJ 60 79B 2 8,-0.5 8,-2.7 -2,-0.4 -11,-0.2 -0.966 11.7-173.5-126.2 122.7 22.2 40.8 24.3 72 167 A Q E -H 59 0B 61 -13,-3.1 -13,-1.7 -2,-0.5 3,-0.5 -0.883 20.6-151.1-114.6 100.2 25.9 41.4 23.7 73 168 A P S S+ 0 0 26 0, 0.0 -16,-0.1 0, 0.0 -15,-0.1 0.110 70.9 20.5 -58.4 179.1 26.5 44.8 22.0 74 169 A G 0 0 65 -18,-0.3 -16,-0.2 1,-0.2 -17,-0.1 0.682 360.0 360.0 23.7 50.0 29.4 45.6 19.8 75 170 A C 0 0 91 -18,-2.4 -1,-0.2 -3,-0.5 -18,-0.1 -0.268 360.0 360.0-120.2 360.0 30.1 42.0 19.0 76 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 77 178 A N 0 0 146 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 150.3 30.2 43.5 26.1 78 179 A A - 0 0 84 -6,-0.2 -6,-0.2 -8,-0.0 -8,-0.0 -0.993 360.0-140.9-143.4 132.3 27.0 42.6 28.0 79 180 A L B -J 71 0B 33 -8,-2.7 2,-1.7 -2,-0.4 -8,-0.5 -0.819 26.0-120.8 -96.9 124.6 23.6 44.3 28.0 80 181 A P + 0 0 86 0, 0.0 48,-1.3 0, 0.0 2,-0.6 -0.425 41.5 174.3 -64.8 84.8 21.8 44.4 31.4 81 182 A V E +K 127 0C 27 -2,-1.7 2,-0.3 46,-0.2 46,-0.2 -0.853 6.3 173.3 -98.1 118.8 18.6 42.6 30.4 82 183 A T E -K 126 0C 75 44,-1.7 44,-2.9 -2,-0.6 2,-0.4 -0.903 19.9-152.6-129.3 156.9 16.3 41.9 33.4 83 184 A Y E -K 125 0C 33 -2,-0.3 42,-0.2 42,-0.2 3,-0.1 -0.961 14.8-132.5-127.4 143.0 12.8 40.5 34.1 84 185 A S - 0 0 32 40,-2.2 2,-0.2 -2,-0.4 3,-0.1 -0.255 52.2 -71.7 -79.5 177.5 10.3 41.1 36.9 85 186 A N - 0 0 147 1,-0.1 39,-0.2 38,-0.1 -1,-0.2 -0.523 57.0-100.2 -75.8 140.7 8.7 38.1 38.5 86 187 A V + 0 0 78 -2,-0.2 37,-0.2 37,-0.1 -1,-0.1 -0.341 50.8 169.2 -60.3 131.6 6.1 36.3 36.4 87 188 A E E -L 122 0C 79 35,-2.7 35,-3.5 -2,-0.1 2,-0.1 -0.878 40.9 -79.6-138.8 167.0 2.5 37.2 37.3 88 189 A P E -L 121 0C 73 0, 0.0 33,-0.2 0, 0.0 2,-0.2 -0.399 45.3-141.5 -68.2 148.8 -0.9 36.6 35.8 89 190 A S E - 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